Different Classes of Antidepressants Inhibit the Rat α7 Nicotinic Acetylcholine Receptor by Interacting within the Ion Channel: A Functional and Structural Study
Abstract
:1. Introduction
2. Results
2.1. Effects of Antidepressants on the Rat α7 nAChR
2.2. Homology Modeling of the Rat α7 nAChR
2.3. Molecular Docking
2.4. Molecular Dynamics Simulation of Top Binding Poses
2.5. MM-GBSA Calculations
3. Discussion
4. Materials and Methods
4.1. Electrical Recordings in Hippocampal Slices
4.2. Homology Modeling of the Rat α7 nAChR
4.3. Molecular Docking
4.4. Molecular Dynamics Simulations
4.5. Free Energy (MM-GBSA) Calculations
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
Sample Availability
References
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Antidepressant | Contacts with Receptor Residues | ΔG (Kcal/mol) |
---|---|---|
norfluoxetine | Van der Waals: L270, I266 Hydrogen bond: E260 | −33.8 ± 3.19 |
mirtazapine | Van der Waals: L270, S263, T267, I266 Hydrogen bond: E260 | −33.6 ± 2.50 |
imipramine | Van der Waals: T267, I266, L270 | −36.4 ± 3.03 |
bupropion | Van der Waals: L278, L277, V274 | −37.5 ± 3.07 |
fluoxetine | Van der Waals: L270, S263, I266 Hydrogen bond: T267 | −40.7 ± 2.56 |
venlafaxine | Van der Waals: L270, S263, T267, I266 Hydrogen bond: E260 | −40.7 ± 3.38 |
escitalopram | Van der Waals: L270, T267, V274 Hydrogen bond: S271, T267 | −52.9 ± 4.34 |
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Duarte, Y.; Rojas, M.; Canan, J.; Pérez, E.G.; González-Nilo, F.; García-Colunga, J. Different Classes of Antidepressants Inhibit the Rat α7 Nicotinic Acetylcholine Receptor by Interacting within the Ion Channel: A Functional and Structural Study. Molecules 2021, 26, 998. https://doi.org/10.3390/molecules26040998
Duarte Y, Rojas M, Canan J, Pérez EG, González-Nilo F, García-Colunga J. Different Classes of Antidepressants Inhibit the Rat α7 Nicotinic Acetylcholine Receptor by Interacting within the Ion Channel: A Functional and Structural Study. Molecules. 2021; 26(4):998. https://doi.org/10.3390/molecules26040998
Chicago/Turabian StyleDuarte, Yorley, Maximiliano Rojas, Jonathan Canan, Edwin G. Pérez, Fernando González-Nilo, and Jesús García-Colunga. 2021. "Different Classes of Antidepressants Inhibit the Rat α7 Nicotinic Acetylcholine Receptor by Interacting within the Ion Channel: A Functional and Structural Study" Molecules 26, no. 4: 998. https://doi.org/10.3390/molecules26040998